N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide

C22H23N5O2 — CID 162492451

IUPACN-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)nc2)cn1
InChIInChI=1S/C22H23N5O2/c1-15-9-10-16(13-24-15)5-4-8-21(28)26-17-11-12-20(25-14-17)22(29)27-19-7-3-2-6-18(19)23/h2-3,6-7,9-14H,4-5,8,23H2,1H3,(H,26,28)(H,27,29)
InChIKeyGCSUJIVCLOQJLQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.58
Rot. Bonds7

About N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide (PubChem CID 162492451) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide
PubChem CID162492451
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)nc2)cn1
InChIInChI=1S/C22H23N5O2/c1-15-9-10-16(13-24-15)5-4-8-21(28)26-17-11-12-20(25-14-17)22(29)27-19-7-3-2-6-18(19)23/h2-3,6-7,9-14H,4-5,8,23H2,1H3,(H,26,28)(H,27,29)
InChIKeyGCSUJIVCLOQJLQ-UHFFFAOYSA-N
XLogP3.58
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
CID 145488739
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767
N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029829
2-[[6-[(2-aminophenyl)carbamoyl]-3-pyridinyl]methyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
CID 59224928
N-(2-aminophenyl)-5-[[1-[4-(dimethylamino)anilino]ethenyl-[4-(dimethylamino)butyl]amino]methyl]pyridine-2-carboxamide
CID 89124435
N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 25029580

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide (CID 162492451) is N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide is Cc1ccc(CCCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)nc2)cn1.
What is the InChIKey of N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
The InChIKey is GCSUJIVCLOQJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-9-10-16(13-24-15)5-4-8-21(28)26-17-11-12-20(25-14-17)22(29)27-19-7-3-2-6-18(19)23/h2-3,6-7,9-14H,4-5,8,23H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 162492451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).